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1-O-(13-methyltetradecyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1028608 Image of MNXM1028608
referenceslm:000720997
formulaC68H123NO8P
global charge-1
mol weight1113.705
InChIKeyIDPQCUNSPJOXAL-OQMPZAKBSA-M
InChIInChI=1S/C68H124NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-43-47-51-55-59-68(71)77-66(63-74-61-56-52-48-44-40-39-41-45-49-53-57-65(3)4)64-76-78(72,73)75-62-60-69-67(70)58-54-50-46-42-37-35-18-16-14-12-10-8-6-2/h7,9,13,15,19-20,22-23,25-26,28-29,65-66H,5-6,8,10-12,14,16-18,21,24,27,30-64H2,1-4H3,(H,69,70)(H,72,73)/p-1/b9-7-,15-13-,20-19-,23-22-,26-25-,29-28-/t66-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H124NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-43-47-51-55-59-68(71)77-66(63-74-61-56-52-48-44-40-39-41-45-49-53-57-65(3)4)64-76-78(72,73)75-62-60-69-67(70)58-54-50-46-42-37-35-18-16-14-12-10-8-6-2/h7,9,13,15,19-20,22-23,25-26,28-29,65-66H,5-6,8,10-12,14,16-18,21,24,27,30-64H2,1-4H3,(H,69,70)(H,72,73)/b9-7-,15-13-,20-19-,23-22-,26-25-,29-28-/t66-/m1/s1 Image of MNXM1028608
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][C:68](=[O:71])[O:77][C@H:66]([CH2:63][O:74][CH2:61][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:39][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH:65]([CH3:3])[CH3:4])[CH2:64][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:62][CH2:60][N:69]=[C:67]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:37][CH2:35][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:70]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000720997
slm:000720997
IDPQCUNSPJOXAL-OQMPZAKBSA-M
1-O-(13-methyltetradecyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-(13-methyltetradecyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-15:0(13-me)/32:6(14Z,17Z,20Z,23Z,26Z,29Z)/16:0)